SCHEMBL4522080

SCHEMBL4522080

O=c1c2ncn(CC(F)F)c2nc(Cc2c(F)cccc2F)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.36
TRPA1 O75762 1/20 0.36
GRM1 Q13255 1/20 0.35
YTHDC1 Q96MU7 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ADORA2A P29274 4/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4515108 0.89 CNR1 (0.38) CNR1HTTTP53MAPTTDP1
SCHEMBL4514911 0.87 CNR1 (0.46) CNR1HTTTP53MAPTTDP1
SCHEMBL4515658 0.85 MAPT (0.39) HTTTP53MAPTTDP1GRM1
SCHEMBL4530785 0.82 MAT2A (0.38) CNR1HTTHIF1AYTHDC1ADORA2A
SCHEMBL4531196 0.81 HKDC1 (0.39) HIF1AADORA2AALDH1A1ADORA1RAB9A
SCHEMBL4505875 0.80 TSHR (0.40) HTTTP53MAPTTDP1DRD1
SCHEMBL4523527 0.79 CNR1 (0.40) CNR1HTTHIF1AGRM1DRD1
SCHEMBL4520614 0.79 CNR1 (0.40) CNR1HTTTP53HIF1ADRD1
SCHEMBL4520551 0.78 CNR1 (0.39) CNR1HTTHIF1ADRD1DRD5
SCHEMBL14292292 0.78 CNR1 (0.39) CNR1HTTTP53HIF1ADRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 CNR1 18/4885HTT 3883/4885TP53 4385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.